Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNLWDIFFTTQATEPPKFDLFWYVSLFTLLALTFYTAHRYRENKVYQRFFQILQTVQLILLYGWYWVNHMPLSESLPFYHCRMAMFVVLLLPGQSKYKQYFALLGTFGTLAAFVYPVPDAYPFPHITILSFIFGHLALLGNSLVYLLRQYNARLLDVKGIFLMTFALNALIFVVNLVTGGDYGFLTKPPLVGDHGLVANYLLVSIVLVATISLTKKILEFFLAQEAEKMIAKEA 5LWE Chain:B ((35-107)) --------------------------------------------------------------------------------------------------------------------------------LVFIVGAL---GNSLVILVYWYCARAKTATDMFLLNLAIADLLFLVTL----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LWE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 76 -11563 -152.14 -256.96 target 2D structure prediction score : 0.82 Monomeric hydrophicity matching model chain B : 0.45 3D Compatibility (PKB) : -152.14 2D Compatibility (Sec. Struct. Predict.) : 0.82 1D Compatibility (Hydrophobicity) : 0.45 QMean score : 0.222

(partial model without unconserved sides chains): PDB file : Tito_5LWE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LWE-query.scw PDB file : Tito_Scwrl_5LWE.pdb: